11280715332D 1   1.00000     0.00000     0

 22 22  0     0  0            999 V2000
    3.4292   -3.5792    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1667   -4.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9000   -3.5792    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9000   -2.7292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4292   -2.7292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6875   -4.0167    0.0000 O   0  0  0  0  0  0           0  0  0
    4.1667   -2.3167    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9625   -3.5792    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6250   -2.3167    0.0000 O   0  0  0  0  0  0           0  0  0
    1.9625   -2.7500    0.0000 O   0  0  0  0  0  0           0  0  0
    8.5375   -2.3375    0.0000 N   0  0  0  0  0  0           0  0  0
    7.0792   -2.3375    0.0000 C   0  0  3  0  0  0           0  0  0
    6.3375   -2.7500    0.0000 C   0  0  0  0  0  0           0  0  0
    7.8167   -2.7500    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1667   -4.8375    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0792   -1.5125    0.0000 O   0  0  0  0  0  0           0  0  0
    5.6250   -4.0250    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6792   -2.3167    0.0000 C   0  0  0  0  0  0           0  0  0
    9.2792   -2.7667    0.0000 C   0  0  3  0  0  0           0  0  0
    1.2792   -3.9875    0.0000 C   0  0  0  0  0  0           0  0  0
   10.0125   -2.3667    0.0000 C   0  0  0  0  0  0           0  0  0
    9.2792   -3.5917    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  2  0     0  0
  4  7  2  0     0  0
  5  1  2  0     0  0
  6  1  1  0     0  0
  7  5  1  0     0  0
  8  6  1  0     0  0
  9  4  1  0     0  0
 10  8  2  0     0  0
 11 14  1  0     0  0
 12 13  1  0     0  0
 13  9  1  0     0  0
 14 12  1  0     0  0
 15  2  1  0     0  0
 16 12  1  0     0  0
 17  3  1  0     0  0
 18  5  1  0     0  0
 19 11  1  0     0  0
 20  8  1  0     0  0
 21 19  1  0     0  0
 22 19  1  0     0  0
  4  3  1  0     0  0
M  END
> <ID>
CHEBI:6897

> <NAME>
metipranolol

> <DEFINITION>
3-(Propan-2-ylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is substituted by a 4-acetoxy-2,3,5-trimethylphenoxy group. A non-cardioselective beta-blocker, it is used to lower intra-ocular pressure in the management of open-angle glaucoma.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:355221

> <SYNONYM>
Metipranolol; Acetic acid 4-(2-hydroxy-3-isopropylamino-propoxy)-2,3,6-trimethyl-phenyl ester; (+-)-metipranolol

> <IUPAC_NAME>
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenyl acetate

> <INN>
metipranololum; metipranolol

> <FORMULA>
C17H27NO4

> <MASS>
309.40060

> <MONOISOTOPIC_MASS>
309.19401

> <CHARGE>
0

> <SMILES>
CC(C)NCC(O)COc1cc(C)c(OC(C)=O)c(C)c1C

> <INCHI>
InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3

> <INCHIKEY>
BQIPXWYNLPYNHW-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
22664-55-7

> <REAXYS_REGISTRY_NUMBER>
2152010

> <CHEMIDPLUS>
22664-55-7

> <DRUGBANK_ACCESSION>
DB01214

> <KEGG_COMPOUND_ACCESSION>
C07915

> <KEGG_DRUG_ACCESSION>
D02374

> <WIKIPEDIA_ACCESSION>
Metipranolol

$$$$